Oxygen position and bond lengths from lattice parameters in tetragonal zirconias

Abstract

A survey of the available data on the oxygen positions in various tetragonal zirconias reveals a simple, approximate relationship between the departure of the oxygen from the position it would have in the ideal fluorite structure, and the tetragonality (c/a) of the material. This relationship can be understood on the basis that the two oxygen-oxygen contact distances are very nearly equal. The relationship may be used to estimate the oxygen position from the lattice parameters, and from that all the bond lengths in the structure.